Li, Yunguo Vocadlo, Lidunka Brodholt, John Ab initio calculations and high P-T experiments on iron, iron alloys and other materials: hcp-Fe-Si-S-C elasticity 5500 K The folder includes the relaxation calculations for the hcp-Fe-Si-C alloy under NPT ensemble at 360 GPa and 5500 K. Ab initio molecular dynamics were performed by using the Vienna Ab initio Simulation Package. <br> hcp-Fe;elasticity;Geophysics 2019-11-27
    https://rdr.ucl.ac.uk/articles/dataset/Ab_initio_calculations_and_high_P-T_experiments_on_iron_iron_alloys_and_other_materials_hcp-Fe-Si-S-C_elasticity_5500_K/10766663
10.5522/04/10766663.v1